Information card for entry 7056124

Structure parameters

• Formula: C32.5 H23 Cl N4 O8 S V2
• Calculated formula: C32.5 H23 Cl N4 O8 S V2
• Title of publication: Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV)
• Authors of publication: Shit, Madhusudan; Bera, Sachinath; Maity, Suvendu; Weyhermueller, Thomas; Ghosh, Prasanta
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 11
• Pages of publication: 4564 - 4572
• a: 29.889 ± 0.002 Å
• b: 14.192 ± 0.0008 Å
• c: 20.2188 ± 0.0013 Å
• α: 90°
• β: 129.985 ± 0.004°
• γ: 90°
• Cell volume: 6571.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No